9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole

C57H31F2N5O2 — CID 147932592

IUPAC9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole
SMILESFc1c(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)cc4c(oc5ccccc54)c3F)n2)c(-n2c3ccccc3c3ccccc32)cc2c1oc1ccccc12
InChIInChI=1S/C57H31F2N5O2/c58-51-49(45(30-39-37-22-8-14-28-47(37)65-53(39)51)63-41-24-10-4-18-33(41)34-19-5-11-25-42(34)63)56-60-55(32-16-2-1-3-17-32)61-57(62-56)50-46(31-40-38-23-9-15-29-48(38)66-54(40)52(50)59)64-43-26-12-6-20-35(43)36-21-7-13-27-44(36)64/h1-31H
InChIKeyIKDXGFRBPCBLRY-UHFFFAOYSA-N
MW855.90 g/mol
LogP15.14
Rot. Bonds5

About 9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole

9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole (PubChem CID 147932592) has the molecular formula C57H31F2N5O2 and a molecular weight of 855.90 g/mol. Its IUPAC name is 9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole
PubChem CID147932592
Molecular FormulaC57H31F2N5O2
Molecular Weight855.90 g/mol
Exact Mass855.24
IUPAC Name9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole
SMILESFc1c(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)cc4c(oc5ccccc54)c3F)n2)c(-n2c3ccccc3c3ccccc32)cc2c1oc1ccccc12
InChIInChI=1S/C57H31F2N5O2/c58-51-49(45(30-39-37-22-8-14-28-47(37)65-53(39)51)63-41-24-10-4-18-33(41)34-19-5-11-25-42(34)63)56-60-55(32-16-2-1-3-17-32)61-57(62-56)50-46(31-40-38-23-9-15-29-48(38)66-54(40)52(50)59)64-43-26-12-6-20-35(43)36-21-7-13-27-44(36)64/h1-31H
InChIKeyIKDXGFRBPCBLRY-UHFFFAOYSA-N
XLogP15.14
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.90
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole with MolForge

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 139555564
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 166495995
9-[3-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142508176
9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 146816621
9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole
CID 153300022
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-[1]benzofuro[3,2-b]carbazole
CID 155158601
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole
CID 166495739
9-[2-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147508065
9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 137496813
9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole
CID 148948409
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162486312
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 167032751

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole (CID 147932592) is 9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole is Fc1c(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)cc4c(oc5ccccc54)c3F)n2)c(-n2c3ccccc3c3ccccc32)cc2c1oc1ccccc12.
What is the InChIKey of 9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole?
The InChIKey is IKDXGFRBPCBLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31F2N5O2/c58-51-49(45(30-39-37-22-8-14-28-47(37)65-53(39)51)63-41-24-10-4-18-33(41)34-19-5-11-25-42(34)63)56-60-55(32-16-2-1-3-17-32)61-57(62-56)50-46(31-40-38-23-9-15-29-48(38)66-54(40)52(50)59)64-43-26-12-6-20-35(43)36-21-7-13-27-44(36)64/h1-31H.
What are the key properties of 9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole?
9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole has a molecular weight of 855.90 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole is sourced from PubChem (CID 147932592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).